2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine

C16H33N3 — CID 55216410

IUPAC2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCCC1CN(CC2CC(C)CCC2NC)CCN1C
InChIInChI=1S/C16H33N3/c1-5-15-12-19(9-8-18(15)4)11-14-10-13(2)6-7-16(14)17-3/h13-17H,5-12H2,1-4H3
InChIKeyYOIMWKRYKQWQFD-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds4

About 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine

2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 55216410) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID55216410
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCCC1CN(CC2CC(C)CCC2NC)CCN1C
InChIInChI=1S/C16H33N3/c1-5-15-12-19(9-8-18(15)4)11-14-10-13(2)6-7-16(14)17-3/h13-17H,5-12H2,1-4H3
InChIKeyYOIMWKRYKQWQFD-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine (CID 55216410) is 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine is CCC1CN(CC2CC(C)CCC2NC)CCN1C.
What is the InChIKey of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is YOIMWKRYKQWQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-15-12-19(9-8-18(15)4)11-14-10-13(2)6-7-16(14)17-3/h13-17H,5-12H2,1-4H3.
What are the key properties of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 55216410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).